7,7-diethyl-5-(oxolan-2-ylmethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenylmethoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-methoxyethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-methyl-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one

C129H158N20O10 — CID 157129042

About 7,7-diethyl-5-(oxolan-2-ylmethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenylmethoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-methoxyethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-methyl-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one

7,7-diethyl-5-(oxolan-2-ylmethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenylmethoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-methoxyethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-methyl-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one (PubChem CID 157129042) has the molecular formula C129H158N20O10 and a molecular weight of 2148.81 g/mol. Its IUPAC name is 7,7-diethyl-5-(oxolan-2-ylmethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenylmethoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-methoxyethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-methyl-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one.

Molecular Properties

• Compound Name: 7,7-diethyl-5-(oxolan-2-ylmethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenylmethoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-methoxyethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-methyl-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one
• PubChem CID: 157129042
• Molecular Formula: C129H158N20O10
• Molecular Weight: 2148.81 g/mol
• Exact Mass: 2147.25
• IUPAC Name: 7,7-diethyl-5-(oxolan-2-ylmethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenylmethoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-methoxyethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-methyl-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one
• SMILES: CCC1(CC)C(=O)N(CC2CCCO2)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.CCC1(CC)C(=O)N(CCOCc2ccccc2)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.CCCC1(CCC)C(=O)N(C)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.CCCC1(CCC)C(=O)N(CCOC)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.CCCC1(CCC)C(=O)N(CCOCCOC)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4
• InChI: InChI=1S/C29H32N4O2.C27H36N4O3.C25H30N4O2.C25H32N4O2.C23H28N4O/c1-3-29(4-2)23-16-24-22(21-12-8-11-20-17-30-32-26(20)27(21)31-24)15-25(23)33(28(29)34)13-14-35-18-19-9-6-5-7-10-19;1-4-9-27(10-5-2)21-16-22-20(15-23(21)31(26(27)32)11-12-34-14-13-33-3)19-8-6-7-18-17-28-30-24(18)25(19)29-22;1-3-25(4-2)19-12-20-18(11-21(19)29(24(25)30)14-16-8-6-10-31-16)17-9-5-7-15-13-26-28-22(15)23(17)27-20;1-4-9-25(10-5-2)19-14-20-18(13-21(19)29(24(25)30)11-12-31-3)17-8-6-7-16-15-26-28-22(16)23(17)27-20;1-4-9-23(10-5-2)17-12-18-16(11-19(17)27(3)22(23)28)15-8-6-7-14-13-24-26-20(14)21(15)25-18/h5-7,9-10,15-17,31H,3-4,8,11-14,18H2,1-2H3,(H,30,32);15-17,29H,4-14H2,1-3H3,(H,28,30);11-13,16,27H,3-10,14H2,1-2H3,(H,26,28);13-15,27H,4-12H2,1-3H3,(H,26,28);11-13,25H,4-10H2,1-3H3,(H,24,26)
• InChIKey: AIVODCWBNRHAHF-UHFFFAOYSA-N
• XLogP: 24.93
• TPSA: 370.05 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 15
• Rotatable Bonds: 32
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2148.81
LogP ≤ 5	24.93
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7,7-diethyl-5-(oxolan-2-ylmethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenylmethoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-methoxyethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-methyl-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one?

The IUPAC name of 7,7-diethyl-5-(oxolan-2-ylmethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenylmethoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-methoxyethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-methyl-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one (CID 157129042) is 7,7-diethyl-5-(oxolan-2-ylmethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenylmethoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-methoxyethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-methyl-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one.

What is the SMILES notation for 7,7-diethyl-5-(oxolan-2-ylmethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenylmethoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-methoxyethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-methyl-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one?

The canonical SMILES for 7,7-diethyl-5-(oxolan-2-ylmethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenylmethoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-methoxyethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-methyl-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one is CCC1(CC)C(=O)N(CC2CCCO2)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.CCC1(CC)C(=O)N(CCOCc2ccccc2)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.CCCC1(CCC)C(=O)N(C)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.CCCC1(CCC)C(=O)N(CCOC)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.CCCC1(CCC)C(=O)N(CCOCCOC)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.

What is the InChIKey of 7,7-diethyl-5-(oxolan-2-ylmethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenylmethoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-methoxyethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-methyl-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one?

The InChIKey is AIVODCWBNRHAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2.C27H36N4O3.C25H30N4O2.C25H32N4O2.C23H28N4O/c1-3-29(4-2)23-16-24-22(21-12-8-11-20-17-30-32-26(20)27(21)31-24)15-25(23)33(28(29)34)13-14-35-18-19-9-6-5-7-10-19;1-4-9-27(10-5-2)21-16-22-20(15-23(21)31(26(27)32)11-12-34-14-13-33-3)19-8-6-7-18-17-28-30-24(18)25(19)29-22;1-3-25(4-2)19-12-20-18(11-21(19)29(24(25)30)14-16-8-6-10-31-16)17-9-5-7-15-13-26-28-22(15)23(17)27-20;1-4-9-25(10-5-2)19-14-20-18(13-21(19)29(24(25)30)11-12-31-3)17-8-6-7-16-15-26-28-22(16)23(17)27-20;1-4-9-23(10-5-2)17-12-18-16(11-19(17)27(3)22(23)28)15-8-6-7-14-13-24-26-20(14)21(15)25-18/h5-7,9-10,15-17,31H,3-4,8,11-14,18H2,1-2H3,(H,30,32);15-17,29H,4-14H2,1-3H3,(H,28,30);11-13,16,27H,3-10,14H2,1-2H3,(H,26,28);13-15,27H,4-12H2,1-3H3,(H,26,28);11-13,25H,4-10H2,1-3H3,(H,24,26).

What are the key properties of 7,7-diethyl-5-(oxolan-2-ylmethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenylmethoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-methoxyethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-methyl-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one?

7,7-diethyl-5-(oxolan-2-ylmethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenylmethoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-methoxyethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-methyl-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one has a molecular weight of 2148.81 g/mol, XLogP of 24.93, 32 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7-diethyl-5-(oxolan-2-ylmethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;7,7-diethyl-5-(2-phenylmethoxyethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-[2-(2-methoxyethoxy)ethyl]-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2-methoxyethyl)-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-methyl-7,7-dipropyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one is sourced from PubChem (CID 157129042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).